exercises:2019_conexs_newcastle:ex4
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| Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
| exercises:2019_conexs_newcastle:ex4 [2019/09/11 12:52] – [Part 1: PDOS and spectra broadening of liquid water] abussy | exercises:2019_conexs_newcastle:ex4 [2019/09/11 13:11] – [Part 1: PDOS and spectra broadening of liquid water] abussy | ||
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| Line 301: | Line 301: | ||
| < | < | ||
| module load Anaconda3/ | module load Anaconda3/ | ||
| + | </ | ||
| + | and then typing | ||
| + | < | ||
| + | python pdos_conv.py | ||
| </ | </ | ||
| Note that you might have to change the parameters at the top of the file to get pleasing results. If a new window with the plot does not open, it is also saved in the current directory as " | Note that you might have to change the parameters at the top of the file to get pleasing results. If a new window with the plot does not open, it is also saved in the current directory as " | ||
| <code - pdos_conv.py> | <code - pdos_conv.py> | ||
| import numpy as np | import numpy as np | ||
| - | import matplotlib.pyplot as plt | ||
| import os | import os | ||
| + | import matplotlib as mpl | ||
| + | mpl.use(' | ||
| + | import matplotlib.pyplot as plt | ||
| # Parameters | # Parameters | ||
exercises/2019_conexs_newcastle/ex4.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1